Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key WXWITNRAXGTELB-UHFFFAOYSA-N
Smiles ClC(Cl)(Cl)N=O
InChI
InChI=1S/CCl3NO/c2-1(3,4)5-6

Physicochemical Descriptors

Property Name Value
Molecular Formula C1Cl3N1O1
Molecular Weight 146.9
AlogP 2.08
Hydrogen Bond Acceptor 2.0
Polar Surface Area 29.43
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 3711-49-7
NORMAN SUSDAT